ethyl 3-(5-iodanyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(5-iodanyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(5-iodo-2-methylsulfanyl-phenyl)-3-oxo-propanoate CAS Name: 3-[5-iodo-2-(methylthio)phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(5-iodo-2-methylsulfanylphenyl)-3-oxopropanoate Traditional Name: 3-[5-iodo-2-(methylthio)phenyl]-3-keto-propionic acid ethyl ester Formula: C12H13IO3S MolecularWeight: 364.19929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(C=CC(=C1)I)SC

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(C=CC(=C1)I)SC

InChI

InChI=1S/C12H13IO3S/c1-3-16-12(15)7-10(14)9-6-8(13)4-5-11(9)17-2/h4-6H,3,7H2,1-2H3